Author: Carmelo E. Notaro

0000000001226016

AUTHOR

Carmelo E. Notaro

showing 1 related works from this author

Montecarlo calculation of the structure of liquid acetonitrile

1992

Abstract A Montecarlo calculation of the structure of liquid acetonitrile, based on a Lonnard-Jones ab initio potential, has been performed. Pair correlation functions between all the heavy atoms are obtained for distances within 8 A°. The features of the obtained structure are discussed.

ChemistryStructure (category theory)Ab initioCondensed Matter PhysicsAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic Materialschemistry.chemical_compoundComputational chemistryPair correlationMaterials ChemistryPhysical chemistryPhysics::Chemical PhysicsPhysical and Theoretical ChemistryAcetonitrileSpectroscopyJournal of Molecular Liquids

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